SCHEMBL8102633

SCHEMBL8102633

C[S+]([O-])C1CC(=O)N1CC(=O)NCCCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.49
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
EPHX2 P34913 2/20 0.43
NAMPT P43490 3/20 0.42
ASAH1 Q13510 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8438732 0.88 TRPV1 (0.48) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL27515045 0.88 TRPV1 (0.48) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL27495125 0.88 TRPV1 (0.48) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL27515042 0.88 TRPV1 (0.48) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL27493521 0.88 TRPV1 (0.48) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8772503 0.88 TRPV1 (0.48) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8442084 0.88 TRPV1 (0.48) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8104208 0.87 TRPV1 (0.40) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8772522 0.87 TRPV1 (0.46) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8104108 0.86 HPGD (0.47) TRPV1HPGDALDH1A1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US claimed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO claimed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed